arXiv:2607. 05691v1 Announce Type: cross Abstract: Every chemical language model reading SMILES begins with a tokenizer, yet the field has inherited byte-pair encoding (BPE) from natural language with little scrutiny.
arXiv:2606. 03057v1 Announce Type: cross Abstract: Large language models (LLMs) are increasingly used for molecular tasks, but it remains unclear which molecular representation to use.
arXiv:2608. 03855v1 Announce Type: new Abstract: Transformer models have revolutionized natural language processing (NLP), and text-based molecular representations like SMILES have successfully extended these architectures to chemistry.
arXiv:2606. 12113v1 Announce Type: cross Abstract: Transformer-based language models for SMILES strings suffer from a locality gap: standard character-level tokenization fragments chemically meaningful motifs, forcing models to repeatedly learn local syntax at the expense of long-range dependencies.
Large language models (LLMs) are widely applied across chemical tasks, such as molecular property prediction, which underpins drug discovery. Molecular LLMs represent a molecule through several modalities, notably a 1D SMILES sequence or a 2D molecular graph.
arXiv:2607. 23319v1 Announce Type: cross Abstract: Standard subword tokenization algorithms such as Byte-Pair Encoding (BPE) and SentencePiece are trained predominantly on modern language corpora and produce inefficient segmentations when applied to classical Indian languages.
arXiv:2606. 05693v1 Announce Type: new Abstract: Large language models (LLMs) have shown promise for molecular property prediction, but their ability to reason over chemical structures remains limited, as molecular representations such as SMILES differ substantially from the natural language on which LLMs are primarily trained.
arXiv:2608. 10480v1 Announce Type: new Abstract: Large language models (LLMs) are widely applied across chemical tasks, such as molecular property prediction, which underpins drug discovery.
arXiv:2605. 16823v2 Announce Type: replace Abstract: Large language models succeed by combining large-scale pretraining with meaningful discrete tokens.
arXiv:2606. 18717v1 Announce Type: cross Abstract: Turkish is agglutinative: meaning is carried by morphemes, yet the subword tokenizers that drive modern language models split words by corpus statistics, fragmenting semantically loaded suffixes and -- in the case of WordPiece and rule-based analyzers -- failing to decode their output back to the original text.
arXiv:2607. 15232v1 Announce Type: cross Abstract: A tokenizer fixed at the start of pre-training allocates vocabulary in proportion to the pre-training corpus, reflecting the deployment priorities at that time.
arXiv:2608. 00837v1 Announce Type: cross Abstract: Byte Pair Encoding (BPE) is widely used for subword tokenization, but standard BPE exposes every learned merge token to the downstream model, including tokens that mainly serve as intermediate construction units and rarely appear in the final encoded corpus.
arXiv:2603. 25062v2 Announce Type: replace Abstract: Autoregressive molecular models assign probability to molecular serializations even though chemical identity is invariant to serialization.